2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C082-0040 |
| Compound Name: | 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(NC(CN1C(C3C(C1=O)[C@@H]1C[C@H]3C=C1)=O)=O)n2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6034 |
| logD: | 2.6033 |
| logSw: | -2.9959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.247 |
| InChI Key: | PTNBBLHSZSJNNS-UHFFFAOYSA-N |